HRID1149955

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID4622928

Cyanomethylenetributylphosphorane

C14H28NP

HCID22933535

未命名化合物

HCID22933546

未命名化合物

PRODUCTS

生成物

结构：Cc1c(OC2CCC(C)(C)C(N3C(=O)c4ccccc4C3=O)C2)ccc2[nH]ncc12

HCID18447217

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9faea40a70bf443380245fc607893c5b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:32]([CH:33]=[P:34]([CH2:35][CH2:36][CH2:37][CH3:38])([CH2:39][CH2:40][CH2:41][CH3:42])[CH2:43][CH2:44][CH2:45][CH3:46])#[N:47].[CH3:1][c:2]1[c:3]2[cH:4][n:5][nH:6][c:7]2[cH:8][cH:9][c:10]1[OH:11].[CH3:48][c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1.[OH:12][CH:13]1[CH2:14][CH2:15][C:16]([CH3:30])([CH3:31])[CH:17]([N:19]2[C:20](=[O:29])[c:21]3[cH:22][cH:23][cH:24][cH:25][c:26]3[C:27]2=[O:28])[CH2:18]1>>[CH3:1][c:2]1[c:3]2[cH:4][n:5][nH:6][c:7]2[cH:8][cH:9][c:10]1[O:11][CH:13]1[CH2:14][CH2:15][C:16]([CH3:30])([CH3:31])[CH:17]([N:19]2[C:20](=[O:29])[c:21]3[cH:22][cH:23][cH:24][cH:25][c:26]3[C:27]2=[O:28])[CH2:18]1